methyl 3-[[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-4-fluoranyl-benzoate

Systemtic Name: methyl 3-[[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-4-fluoranyl-benzoate Openeye Name: methyl 3-[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]-4-fluoro-benzoate CAS Name: 3-[[[1-(2,4-dimethylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]-4-fluorobenzoate Traditional Name: 3-[[1-(2,4-dimethylphenyl)sulfonylisonipecotoyl]amino]-4-fluoro-benzoic acid methyl ester Formula: C22H25FN2O5S MolecularWeight: 448.507703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)F)C

InChI

InChI=1S/C22H25FN2O5S/c1-14-4-7-20(15(2)12-14)31(28,29)25-10-8-16(9-11-25)21(26)24-19-13-17(22(27)30-3)5-6-18(19)23/h4-7,12-13,16H,8-11H2,1-3H3,(H,24,26)